N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

C21H19FN8O — CID 71010081

IUPACN-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1ccc(-c2nnn(C)n2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C21H19FN8O/c1-4-13-5-6-14(20-27-29-30(3)28-20)7-15(13)18-10-25-19(11-24-18)26-21(31)16-8-23-9-17(22)12(16)2/h5-11H,4H2,1-3H3,(H,25,26,31)
InChIKeyIMHIOUOGLKOVTA-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.99
Rot. Bonds5

About N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 71010081) has the molecular formula C21H19FN8O and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID71010081
Molecular FormulaC21H19FN8O
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC NameN-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCCc1ccc(-c2nnn(C)n2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C21H19FN8O/c1-4-13-5-6-14(20-27-29-30(3)28-20)7-15(13)18-10-25-19(11-24-18)26-21(31)16-8-23-9-17(22)12(16)2/h5-11H,4H2,1-3H3,(H,25,26,31)
InChIKeyIMHIOUOGLKOVTA-UHFFFAOYSA-N
XLogP2.99
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 90224957
N-[5-(2-ethyl-5-methoxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 126722767
3-fluoro-2-methyl-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
CID 69280960
5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70978639
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978582
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
2,3-difluoro-N-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
CID 69280980
N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70979502
N-[5-[(Z)-N-[(3,5-difluoro-2-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 89156183
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
N-[5-[5-[(3Z)-4-aminooxypenta-1,3-dien-2-yl]oxy-2-ethylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 89184659
4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 70979582

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 71010081) is N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is CCc1ccc(-c2nnn(C)n2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1.
What is the InChIKey of N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is IMHIOUOGLKOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O/c1-4-13-5-6-14(20-27-29-30(3)28-20)7-15(13)18-10-25-19(11-24-18)26-21(31)16-8-23-9-17(22)12(16)2/h5-11H,4H2,1-3H3,(H,25,26,31).
What are the key properties of N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 418.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).